add more information in README and index

Author: Tieqiong

README.rst

@@ -52,9 +52,16 @@ For more information about the diffpy.structure library, please consult our `onl
 Citation
 --------
 
-If you use diffpy.structure in a scientific publication, we would like you to cite this package as
+If you use this program for a scientific research that leads
+to publication, we ask that you acknowledge use of the program
+by citing the following paper in your publication:
 
-        diffpy.structure Package, https://github.com/diffpy/diffpy.structure
+   P. Juhás, C. L. Farrow, X. Yang, K. R. Knox and S. J. L. Billinge,
+   `Complex modeling: a strategy and software program for combining
+   multiple information sources to solve ill posed structure and
+   nanostructure inverse problems
+   <http://dx.doi.org/10.1107/S2053273315014473>`__,
+   *Acta Crystallogr. A* **71**, 562-568 (2015).
 
 Installation
 ------------
@@ -129,6 +136,9 @@ Acknowledgement
 Space group codes in *spacegroupmod.py* and *mmlibspacegroups.py*
 originate from the `pymmlib project <http://pymmlib.sourceforge.net>`_.
 
+Less common settings of space groups were generating using the
+`Computational Crystallography Toolbox <http://cctbx.sourceforge.net>`_.
+
 Contact
 -------
 

doc/source/index.rst

@@ -9,16 +9,52 @@ diffpy.structure - Crystal structure container and parsers for structure formats
 | Software version |release|.
 | Last updated |today|.
 
+The diffpy.structure package provides objects for storing atomic
+coordinates, displacement parameters and other crystal structure data.
+diffpy.structure supports import and export of structure data in several
+structure formats such as CIF, PDB, xyz.  It provides conversion
+between fractional and absolute Cartesian coordinates, functions for
+symmetry expansion from asymmetric unit and generation of symmetry
+constraints for atom positions and displacement parameters.  diffpy.structure
+includes definitions of all space groups in over 500 symmetry settings.
+
 =======
 Authors
 =======
 
-diffpy.structure is developed by Billinge Group
-and its community contributors.
+diffpy.structure is developed by members of the Billinge Group at
+Columbia University and at Brookhaven National Laboratory including
+Pavol Juhás, Christopher L. Farrow, Xiaohao Yang, Simon J.L. Billinge.
 
 For a detailed list of contributors see
 https://github.com/diffpy/diffpy.structure/graphs/contributors.
 
+Acknowledgments
+===============
+
+Space group codes in *spacegroupmod.py* and *mmlibspacegroups.py*
+originate from the pymmlib project, http://pymmlib.sourceforge.net.
+Less common settings of space groups were generating using the
+Computational Crystallography Toolbox,
+http://cctbx.sourceforge.net.
+
+
+.. index:: citation, reference
+
+Reference
+=========
+
+If you use this program for a scientific research that leads
+to publication, we ask that you acknowledge use of the program
+by citing the following paper in your publication:
+
+   P. Juhás, C. L. Farrow, X. Yang, K. R. Knox and S. J. L. Billinge,
+   `Complex modeling: a strategy and software program for combining
+   multiple information sources to solve ill posed structure and
+   nanostructure inverse problems
+   <http://dx.doi.org/10.1107/S2053273315014473>`__,
+   *Acta Crystallogr. A* **71**, 562-568 (2015).
+
 ============
 Installation
 ============
@@ -29,6 +65,7 @@ file included with the distribution.
 =================
 Table of contents
 =================
+
 .. toctree::
    :titlesonly: